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CHEBI:177394 - 1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)-D-glucitol

ChEBI IDCHEBI:177394
ChEBI Name1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)-D-glucitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42O8
Net Charge0
Average Mass434.570
Monoisotopic Mass434.28797
SMILES[H][C@]1([C@H](O)COC(=O)CCCCCCCCCCC)OC[C@H](OCCO)[C@H]1OCCO
InChIInChI=1S/C22H42O8/c1-2-3-4-5-6-7-8-9-10-11-20(26)29-16-18(25)21-22(28-15-13-24)19(17-30-21)27-14-12-23/h18-19,21-25H,2-17H2,1H3/t18-,19+,21-,22-/m1/s1
InChIKeyCRBBOOXGHMTWOC-NPDDRXJXSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)-D-glucitol (CHEBI:177394) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(2R)-2-[(2R,3R,4S)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl] dodecanoate
Manual XrefsDatabases
17215564ChemSpider
HMDB0037183HMDB